Geometry & MOs

Info

ID:	371983
PubChem CID:	131283888
Reduced:	BrN2O2F3C8H8 (1)
Stoich.:	AB2C2D3E8F8 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-213.01
Dipole, Da:	2.28
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-hydroxy-5-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CN=C(C(=C1OC(F)(F)F)N)CBr

DOS

IR

Vibrations